N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide

C21H24N2O4 — CID 3268615

IUPACN-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C21H24N2O4/c24-20(23-13-11-21(12-14-23)25-15-6-16-26-21)22-18-9-4-5-10-19(18)27-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,24)
InChIKeyDUQXWXCVKVVFDS-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.24
Rot. Bonds3

About N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide

N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 3268615) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID3268615
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C21H24N2O4/c24-20(23-13-11-21(12-14-23)25-15-6-16-26-21)22-18-9-4-5-10-19(18)27-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,24)
InChIKeyDUQXWXCVKVVFDS-UHFFFAOYSA-N
XLogP4.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 138381896
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24735797
N-(2-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989738
N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3790965
N-[2-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 970571
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475
N-[2-(azepan-1-yl)phenyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 56794685
N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide
CID 162623805

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 3268615) is N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)N1CCC2(CC1)OCCCO2.
What is the InChIKey of N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is DUQXWXCVKVVFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(23-13-11-21(12-14-23)25-15-6-16-26-21)22-18-9-4-5-10-19(18)27-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,24).
What are the key properties of N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 3268615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).